Terminology Service for NFDI4Health
1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid
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http://purl.obolibrary.org/obo/CHEBI_48793
A ferrocene inhibitor of the synthetic exo Diels-Alderase catalytic antibody 13G5, where the (dimethylamino)carbonyl group represents the dienophile and the carboxyl group represents the side chain of the diene.
Term info
Label
1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid
Synonyms
- 1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid
Subsets
3_STAR
charge
0
formula
C14H15FeNO3
has alternative id
CHEBI:48792, CHEBI:30673
has obo namespace
chebi_ontology
has related synonym
1-carboxy-1'-[(dimethylamino)carbonyl]ferrocene, [(1,2,3,4,5-eta)-1-carboxycyclopentadienyl][(1,2,3,4,5-eta)-1-(dimethylcarbamoyl)cyclopentadienyl]iron, 1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE
id
CHEBI:48793
inchi
InChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);
inchikey
QUKRDAUIFVLNSE-UHFFFAOYSA-N
mass
301.11884
monoisotopicmass
301.04013
smiles
CN(C)C(=O)C12C3C4C5C1[Fe]23451234C5C1C2C3(C45)C(O)=O